(E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one CAS Name: (E)-3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-1-[2-(prop-2-ynylthio)-1-benzimidazolyl]-2-propen-1-one IUPAC Name: (E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-methoxy-3-piperidinosulfonyl-phenyl)-1-[2-(propargylthio)benzimidazol-1-yl]prop-2-en-1-one Formula: C25H25N3O4S2 MolecularWeight: 495.6137

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)N2C3=CC=CC=C3N=C2SCC#C)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)N2C3=CC=CC=C3N=C2SCC#C)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H25N3O4S2/c1-3-17-33-25-26-20-9-5-6-10-21(20)28(25)24(29)14-12-19-11-13-22(32-2)23(18-19)34(30,31)27-15-7-4-8-16-27/h1,5-6,9-14,18H,4,7-8,15-17H2,2H3/b14-12+